N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

C19H14F3N5O2S2 — CID 24672555

IUPACN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(NC(=O)c2csc(COc3ccc(F)cc3)n2)sc1-c1nccn1C(F)F
InChIInChI=1S/C19H14F3N5O2S2/c1-10-15(16-23-6-7-27(16)18(21)22)31-19(24-10)26-17(28)13-9-30-14(25-13)8-29-12-4-2-11(20)3-5-12/h2-7,9,18H,8H2,1H3,(H,24,26,28)
InChIKeyUUYBVLPTCSVVFN-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.14
Rot. Bonds7

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 24672555) has the molecular formula C19H14F3N5O2S2 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID24672555
Molecular FormulaC19H14F3N5O2S2
Molecular Weight465.48 g/mol
Exact Mass465.05
IUPAC NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(NC(=O)c2csc(COc3ccc(F)cc3)n2)sc1-c1nccn1C(F)F
InChIInChI=1S/C19H14F3N5O2S2/c1-10-15(16-23-6-7-27(16)18(21)22)31-19(24-10)26-17(28)13-9-30-14(25-13)8-29-12-4-2-11(20)3-5-12/h2-7,9,18H,8H2,1H3,(H,24,26,28)
InChIKeyUUYBVLPTCSVVFN-UHFFFAOYSA-N
XLogP5.14
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672336
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807
2-[(4-fluorophenoxy)methyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24672763
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 24626228
2-[(4-fluorophenoxy)methyl]-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24671861
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672411
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
2-[(4-fluorophenoxy)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24672363
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
N-[(2S)-butan-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158727
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672314

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 24672555) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(NC(=O)c2csc(COc3ccc(F)cc3)n2)sc1-c1nccn1C(F)F.
What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UUYBVLPTCSVVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S2/c1-10-15(16-23-6-7-27(16)18(21)22)31-19(24-10)26-17(28)13-9-30-14(25-13)8-29-12-4-2-11(20)3-5-12/h2-7,9,18H,8H2,1H3,(H,24,26,28).
What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24672555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).